Cluster-cluster gelation with finite bond energy
โ Scribed by M.D. Haw; M. Sievwright; W.C.K. Poon; P.N. Pusey
- Publisher
- Elsevier Science
- Year
- 1995
- Tongue
- English
- Weight
- 849 KB
- Volume
- 62
- Category
- Article
- ISSN
- 0001-8686
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โฆ Synopsis
Aggregation and gelation of colloidal particles in two and three dimensions is simulated using the diffusion-limited cluster-cluster aggregation model with a finite interparticle bonding energy. Particles and clusters break apart due to thermal fluctuations in kinetic energy. The effects on the structure of the aggregating system as a whole are studied via methods analogous to light-scattering in experiments. We consider relatively weak interparticle attractive potentials E of the order of a few times the thermal fluctuation energy kBT. In irreversible aggregation the system of clusters forms a gel, a space-filling connected structure. We find that given strong enough bonding the assembly of clusters still approaches gelation (the assembly fills an increasing fraction of space) but the 'gel' structure is markedly different from the case where bonding is irreversible. At lower energies a sol of clusters is formed, the clusters being internally compact with ramified surfaces. At late time one expects the system to evolve to a pattern of coarsening, near-compact droplets familiar from general first-order phase transition and phase separation studies.
๐ SIMILAR VOLUMES
## Abstract A new approach is suggested to the assignment of bond energies in molecules and clusters. It uses a shareholder principle for the redistribution of the shifts in atomic energies, which arise in a molecule, on the bonds. The scheme is directly suitable for semiempirical methods, where on
Binding energies and bond distances are calculated with the semiempirical MO method SINDO 1. A quasilinear relationship is found between normalized binding energies or average bond distances and relative average coordination numbers. It is demonstrated that binding energy per unit and binding energy